1CHZ

A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Spacegroup name	P 21 21 21
Unit cell lengths	36.640, 37.310, 37.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.760
R-factor	0.19 *
Rwork	0.190
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snb
RMSD bond length	0.015
RMSD bond angle	26.850 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.100	0.340 *
Total number of observations	11634 *
Number of reflections	5004
Completeness [%]	90.0	55.3
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	acetate	10 (mM)
2	1	drop	protein	10 (mg/ml)
3	1	reservoir	MPD	65-70 (%)
4	1	reservoir	Tris	0.1 (M)
5	1	reservoir	dioxane	5 (%)